2-[4-[3-[3-chloro-4-(1,3-difluoropropan-2-yloxy)phenyl]-1H-pyrazol-5-yl]indol-1-yl]acetamide

C22H19ClF2N4O2 — CID 141258124

IUPAC2-[4-[3-[3-chloro-4-(1,3-difluoropropan-2-yloxy)phenyl]-1H-pyrazol-5-yl]indol-1-yl]acetamide
SMILESNC(=O)Cn1ccc2c(-c3cc(-c4ccc(OC(CF)CF)c(Cl)c4)n[nH]3)cccc21
InChIInChI=1S/C22H19ClF2N4O2/c23-17-8-13(4-5-21(17)31-14(10-24)11-25)18-9-19(28-27-18)15-2-1-3-20-16(15)6-7-29(20)12-22(26)30/h1-9,14H,10-12H2,(H2,26,30)(H,27,28)
InChIKeyKAACYVYFCGSXIE-UHFFFAOYSA-N
MW444.87 g/mol
LogP4.52
Rot. Bonds8

About 2-[4-[3-[3-chloro-4-(1,3-difluoropropan-2-yloxy)phenyl]-1H-pyrazol-5-yl]indol-1-yl]acetamide

2-[4-[3-[3-chloro-4-(1,3-difluoropropan-2-yloxy)phenyl]-1H-pyrazol-5-yl]indol-1-yl]acetamide (PubChem CID 141258124) has the molecular formula C22H19ClF2N4O2 and a molecular weight of 444.87 g/mol. Its IUPAC name is 2-[4-[3-[3-chloro-4-(1,3-difluoropropan-2-yloxy)phenyl]-1H-pyrazol-5-yl]indol-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-[3-[3-chloro-4-(1,3-difluoropropan-2-yloxy)phenyl]-1H-pyrazol-5-yl]indol-1-yl]acetamide
PubChem CID141258124
Molecular FormulaC22H19ClF2N4O2
Molecular Weight444.87 g/mol
Exact Mass444.12
IUPAC Name2-[4-[3-[3-chloro-4-(1,3-difluoropropan-2-yloxy)phenyl]-1H-pyrazol-5-yl]indol-1-yl]acetamide
SMILESNC(=O)Cn1ccc2c(-c3cc(-c4ccc(OC(CF)CF)c(Cl)c4)n[nH]3)cccc21
InChIInChI=1S/C22H19ClF2N4O2/c23-17-8-13(4-5-21(17)31-14(10-24)11-25)18-9-19(28-27-18)15-2-1-3-20-16(15)6-7-29(20)12-22(26)30/h1-9,14H,10-12H2,(H2,26,30)(H,27,28)
InChIKeyKAACYVYFCGSXIE-UHFFFAOYSA-N
XLogP4.52
TPSA85.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.87
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-[3-chloro-4-(1,3-difluoropropan-2-yloxy)phenyl]-1H-pyrazol-5-yl]indol-1-yl]acetamide?
The IUPAC name of 2-[4-[3-[3-chloro-4-(1,3-difluoropropan-2-yloxy)phenyl]-1H-pyrazol-5-yl]indol-1-yl]acetamide (CID 141258124) is 2-[4-[3-[3-chloro-4-(1,3-difluoropropan-2-yloxy)phenyl]-1H-pyrazol-5-yl]indol-1-yl]acetamide.
What is the SMILES notation for 2-[4-[3-[3-chloro-4-(1,3-difluoropropan-2-yloxy)phenyl]-1H-pyrazol-5-yl]indol-1-yl]acetamide?
The canonical SMILES for 2-[4-[3-[3-chloro-4-(1,3-difluoropropan-2-yloxy)phenyl]-1H-pyrazol-5-yl]indol-1-yl]acetamide is NC(=O)Cn1ccc2c(-c3cc(-c4ccc(OC(CF)CF)c(Cl)c4)n[nH]3)cccc21.
What is the InChIKey of 2-[4-[3-[3-chloro-4-(1,3-difluoropropan-2-yloxy)phenyl]-1H-pyrazol-5-yl]indol-1-yl]acetamide?
The InChIKey is KAACYVYFCGSXIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClF2N4O2/c23-17-8-13(4-5-21(17)31-14(10-24)11-25)18-9-19(28-27-18)15-2-1-3-20-16(15)6-7-29(20)12-22(26)30/h1-9,14H,10-12H2,(H2,26,30)(H,27,28).
What are the key properties of 2-[4-[3-[3-chloro-4-(1,3-difluoropropan-2-yloxy)phenyl]-1H-pyrazol-5-yl]indol-1-yl]acetamide?
2-[4-[3-[3-chloro-4-(1,3-difluoropropan-2-yloxy)phenyl]-1H-pyrazol-5-yl]indol-1-yl]acetamide has a molecular weight of 444.87 g/mol, XLogP of 4.52, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-[3-chloro-4-(1,3-difluoropropan-2-yloxy)phenyl]-1H-pyrazol-5-yl]indol-1-yl]acetamide is sourced from PubChem (CID 141258124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).